ethyl 2,4-dimethyl-5-[(2S)-2-[4-(methylamino)-3-nitro-phenyl]carbonyloxypropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(methylamino)-3-nitro-phenyl]carbonyloxypropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(methylamino)-3-nitro-benzoyl]oxypropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[[4-(methylamino)-3-nitrophenyl]-oxomethoxy]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(methylamino)-3-nitrobenzoyl]oxypropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[4-(methylamino)-3-nitro-benzoyl]oxypropanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O7/c1-6-29-20(26)16-10(2)17(22-11(16)3)18(24)12(4)30-19(25)13-7-8-14(21-5)15(9-13)23(27)28/h7-9,12,21-22H,6H2,1-5H3/t12-/m0/s1